The exts.dat and extsss.dat files are generated by neresults.pl after an SSNEB (string method with the nudged elastic band) calculation in the VASP (Vienna Ab initio Simulation Package) software. These files contain information about the intermediate images along the reaction pathway.
The exts.dat ...
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- Sat Mar 18, 2023 8:31 am
- Forum: tsase
- Topic: questions on solid state neb
- Replies: 1
- Views: 211629